Spektraris NMR
Ent-7a-cinnamoyloxy-15b-hydroxy-kaur-16-en-19-oic acid
Common Name: Ent-7a-cinnamoyloxy-15b-hydroxy-kaur-16-en-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O5/c1-18-20-11-12-21-27(2)14-7-15-28(3,26(32)33)22(27)16-23(29(21,17-20)25(18)31)34-24(30)13-10-19-8-5-4-6-9-19/h4-6,8-10,13,20-23,25,31H,1,7,11-12,14-17H2,2-3H3,(H,32,33)/b13-10+/t20-,21+,22+,23+,25+,27+,28-,29-/m1/s1
InChIKey: InChIKey=CVSUJRUFHAZNHK-DQCVOJHCSA-N
Formula: C29H36O5
Molecular Weight: 464.594233
Exact Mass: 464.256274
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lobitz, G.O., Tamayo-Castillo, G., Poveda, L., Merfort, I. Phytochemistry (1998) 49, 805-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 41.9 |
| 2 (CH2) | 20.3 |
| 3 (CH2) | 39.1 |
| 4 (C) | 44.1 |
| 5 (CH) | 49 |
| 6 (CH2) | 26.9 |
| 7 (CH) | 77.1 |
| 8 (C) | 51.7 |
| 9 (CH) | 49.6 |
| 10 (C) | 40.8 |
| 11 (CH2) | 19 |
| 12 (CH2) | 34.2 |
| 13 (CH) | 43.5 |
| 14 (CH2) | 35.7 |
| 15 (CH) | 80.8 |
| 16 (C) | 160.3 |
| 17 (CH2) | 109.1 |
| 18 (CH3) | 29.3 |
| 19 (C) | 181.4 |
| 20 (CH3) | 16.4 |
| 7a (C) | 168.1 |
| 7b (CH) | 120.1 |
| 7c (CH) | 145.5 |
| 7d (C) | 136 |
| 7e (CH) | 130 |
| 7f (CH) | 129.2 |
| 7g (CH) | 131.3 |
| 7h (CH) | 129.2 |
| 7i (CH) | 130 |
